N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine

C20H22Cl2NOP — CID 6307479

IUPACN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine
SMILESCCN(CC)P(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1
InChIInChI=1S/C20H22Cl2NOP/c1-3-23(4-2)25(24,15-19(21)17-11-7-5-8-12-17)16-20(22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b19-15-,20-16-
InChIKeyUOLAYEYCNZWYCE-IKBKFCNISA-N
MW394.28 g/mol
LogP7.08
Rot. Bonds7

About N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine

N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine (PubChem CID 6307479) has the molecular formula C20H22Cl2NOP and a molecular weight of 394.28 g/mol. Its IUPAC name is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine.

Molecular Properties

Compound NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine
PubChem CID6307479
Molecular FormulaC20H22Cl2NOP
Molecular Weight394.28 g/mol
Exact Mass393.08
IUPAC NameN-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine
SMILESCCN(CC)P(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1
InChIInChI=1S/C20H22Cl2NOP/c1-3-23(4-2)25(24,15-19(21)17-11-7-5-8-12-17)16-20(22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b19-15-,20-16-
InChIKeyUOLAYEYCNZWYCE-IKBKFCNISA-N
XLogP7.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.28
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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bis(2-chloro-2-phenylethenyl)phosphinic acid
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[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
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N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-phenylethanamine
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(Z,1R)-3-chloro-1-diethoxyphosphoryl-N,N-dimethyl-3-phenylprop-2-en-1-amine
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(3R,5S)-1-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-3,5-dimethylpiperidine
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1-bis(2-chloro-2-phenylethenyl)phosphorylpiperidine
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[(Z)-2-(benzenesulfinyl)-1-chloroethenyl]benzene
CID 139262815
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-2-chloroaniline
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(Z)-3-chloro-3-phenylprop-2-enoyl chloride
CID 13053218

Frequently Asked Questions

What is the IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine?
The IUPAC name of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine (CID 6307479) is N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine.
What is the SMILES notation for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine?
The canonical SMILES for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine is CCN(CC)P(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1.
What is the InChIKey of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine?
The InChIKey is UOLAYEYCNZWYCE-IKBKFCNISA-N. The full InChI is InChI=1S/C20H22Cl2NOP/c1-3-23(4-2)25(24,15-19(21)17-11-7-5-8-12-17)16-20(22)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b19-15-,20-16-.
What are the key properties of N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine?
N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine has a molecular weight of 394.28 g/mol, XLogP of 7.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis[(Z)-2-chloro-2-phenylethenyl]phosphoryl-N-ethylethanamine is sourced from PubChem (CID 6307479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).